Sugi Predict

Sugi Predict / Compounds / SCHEMBL99050

SCHEMBL99050

SCHEMBL99050

O=[C]c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.52
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ ORAI2 Q96SN7 1/20 0.41
▸ ORAI3 Q9BRQ5 1/20 0.41
▸ TRPV6 Q9H1D0 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ SRD5A2 P31213 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PTPN1 P18031 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5927379 0.93 KIF11 (0.63) KIF11CES2CES1
SCHEMBL27914447 0.93 KIF11 (0.47) KIF11CES2CES1ALDH1A1TSHR
SCHEMBL17103478 0.80 KIF11 (0.34) KIF11CES2CES1PTPN1
SCHEMBL9799623 0.80 KIF11 (0.34) KIF11PTPN1
SCHEMBL5536193 0.80 KIF11 (0.34) KIF11PTPN1
SCHEMBL27791755 0.80 HSD11B1 (0.38) KIF11PTPN1
SCHEMBL14998069 0.78 KIF11 (0.56) KIF11CES2CES1ALDH1A1TSHR
SCHEMBL2862671 0.78 KIF11 (0.56) KIF11CES2CES1ALDH1A1TSHR
SCHEMBL16747679 0.78 KIF11 (0.56) KIF11CES2CES1ALDH1A1TSHR
SCHEMBL17103245 0.77 PTPN1 (0.32) KIF11PTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1305 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 — — EP claimed
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 — — CN claimed
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 — — CN claimed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 — — CN claimed
CN-113929695-B Sulfimide psoralen derivatives, and preparation method and application thereof 南开大学 2024-06-07 — — CN claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 — — CN claimed
CN-115043810-B Method for preparing chiral hydrocarbon bond oxidation product by non-metal catalyzed asymmetric hydrocarbon bond oxidation 浙江大学 2024-04-19 — — CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 — — US claimed
CN-117247359-A Dendrimer-like lipid compound, liposome, lipid complex, lipid nanoparticle and application thereof 中国科学院广州生物医药与健康研究院 2023-12-19 — — CN claimed
WO-2023236824-A1 DENDRON-LIKE LIPID COMPOUND, LIPOSOME, LIPID COMPLEX, AND LIPID NANOPARTICLE AND USE THEREOF 中国科学院广州生物医药与健康研究院 2023-12-14 — — WO claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 — — EP claimed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 — — WO claimed
US-5807754-A Combinatorial synthesis and high-throughput screening of a Rev-inhibiting arylidenediamide array ARQULE, INC. (US) 1998-09-15 — — US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
EP-0853764-A1 COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY ARQULE, INC. (US) 1998-07-22 — — EP claimed
WO-1996035953-A1 COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY ARQULE, INC. (US) 1996-11-14 — — WO claimed
EP-0251041-B1 PROCESS FOR PREPARING 2,3,5,6-TETRAFLUOROBENZOIC ACID AND THE COMPOUNDS 2,3,5,6-TETRACHLORO-4-TRIFLUOROMETHYLBENZOYL CHLORIDE AND 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYLBENZOYL FLUORIDE BAYER AG (DE) 1989-11-08 — — EP claimed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 — — US claimed
EP-0038223-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLBENZOYL HALIDES OCCIDENTAL CHEMICAL CORPORATION (US) 1984-08-08 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 KIF11 4622/4885CES2 2886/4885CES1 3249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.